Ethyl 3-bromo-1H-pyrazole-4-carboxylate

Basic Information

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CAS Number

1353100-91-0

Molecular Formula

C6H7BrN2O2

Molecular Weight

219.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

86-89°C

SMILES

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CCOC(=O)C1=C(NN=C1)Br

InChI

InChI=1S/C6H7BrN2O2/c1-2-11-6(10)4-3-8-9-5(4)7/h3H,2H2,1H3,(H,8,9)

InChIKey

HMONTLMXUZERMC-UHFFFAOYSA-N

LogP

1.3489

Topological Polar Surface Area

54.980000000000004 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

154

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Ethyl 3-bromo-1H-pyrazole-4-carboxylate
1-H-pyrazole-4-carboxylic acid,3-broMo,ethyl ester
3-bromo-1H-Pyrazole-4-carboxylic acid ethyl ester
ACN-000562
AK100938
ANW-69789
CTK8C3189
KB-77078
SureCN370881
ethyl 5-bromo-1H-pyrazole-4-carboxylate
HMONTLMXUZERMC-UHFFFAOYSA-N
Ethyl 3-Bromopyrazole-4-carboxylate
6310AA
SY034693
ST2412967
DB-366019
ethyl3-bromo-1H-pyrazole-4-carboxylate
AKOS016001893
AMY38616
MFCD12032195
SCHEMBL15655280
EN300-317112
Y10110
G10539
1353100-91-0
PB40376
1-H-pyrazole-4-carboxylicacid,3-broMo,ethylester
DTXSID20719102
CS-W019602
A887683
SCHEMBL370881

MDL Number

MFCD12032195

FAQ

What is Ethyl 3-bromo-1H-pyrazole-4-carboxylate (CAS: 1353100-91-0)?

Ethyl 3-bromo-1H-pyrazole-4-carboxylate (CAS: 1353100-91-0) is an organic compound with the molecular formula C8H7BrNO2. It is used primarily in medicinal chemistry and as an intermediate in the synthesis of various pharmaceuticals. This compound is characterized by its stability and specific functional groups, which make it useful for drug development.

What are the main uses of Ethyl 3-bromo-1H-pyrazole-4-carboxylate (CAS: 1353100-91-0)?

Ethyl 3-bromo-1H-pyrazole-4-carboxylate (CAS: 1353100-91-0) is mainly used as an intermediate in the development of medicinal compounds. It plays a role in the synthesis of drugs and other bioactive molecules. This compound is also utilized in academic and industrial research for its unique chemical properties.

Is Ethyl 3-bromo-1H-pyrazole-4-carboxylate (CAS: 1353100-91-0) safe?

Ethyl 3-bromo-1H-pyrazole-4-carboxylate (CAS: 1353100-91-0) is generally safe when handled with appropriate precautions. It is important to follow safety guidelines, including wearing protective gloves and goggles, and storing it in a well-ventilated area. Care should be taken to avoid inhalation or skin contact with the compound.

How should Ethyl 3-bromo-1H-pyrazole-4-carboxylate (CAS: 1353100-91-0) be stored?

Ethyl 3-bromo-1H-pyrazole-4-carboxylate (CAS: 1353100-91-0) should be stored in a cool, dry place away from direct sunlight and heat sources. It is advisable to keep it in a tightly sealed container to prevent moisture and light exposure. Ensure that the storage area has good ventilation and is accessible only to authorized personnel.